REMARK  Name = BDB004004
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.768  -1.801  -1.509  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        1.871  -1.023  -0.619  0.00  0.00    +0.063 A 
ATOM      3  C   LIG    1        2.188   0.116   0.169  0.00  0.00    -0.007 A 
ATOM      4  C   LIG    1        3.497   0.803   0.291  0.00  0.00    +0.047 C 
ATOM      5  C   LIG    1        1.000   0.444   0.804  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1        0.684   1.535   1.760  0.00  0.00    +0.065 C 
ATOM      7  N   LIG    1        0.081  -0.478   0.373  0.00  0.00    -0.267 N 
ATOM      8  N   LIG    1        0.590  -1.377  -0.486  0.00  0.00    -0.176 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1       -1.321  -0.589   0.735  0.00  0.00    +0.158 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -2.267  -0.277  -0.428  0.00  0.00    +0.116 C 
ATOM     11  C   LIG    1       -2.217   1.189  -0.849  0.00  0.00    +0.021 C 
BRANCH  10  12
ATOM     12  C   LIG    1       -3.668  -0.622  -0.002  0.00  0.00    +0.309 C 
ATOM     13  O   LIG    1       -4.085  -0.698   1.142  0.00  0.00    -0.251 OA
BRANCH  12  14
ATOM     14  O   LIG    1       -4.492  -0.834  -1.045  0.00  0.00    -0.480 OA
ATOM     15  H   LIG    1       -5.358  -1.046  -0.637  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   9  10
ENDBRANCH   7   9
TORSDOF 4